2-chlorobenzenesulfonate;rubidium(1+)

C6H4ClO3RbS — CID 139842295

IUPAC2-chlorobenzenesulfonate;rubidium(1+)
SMILESO=S(=O)([O-])c1ccccc1Cl.[Rb+]
InChIInChI=1S/C6H5ClO3S.Rb/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1
InChIKeyGIFXNDQNZWYCNA-UHFFFAOYSA-M
MW277.08 g/mol
LogP-1.75
Rot. Bonds1

About 2-chlorobenzenesulfonate;rubidium(1+)

2-chlorobenzenesulfonate;rubidium(1+) (PubChem CID 139842295) has the molecular formula C6H4ClO3RbS and a molecular weight of 277.08 g/mol. Its IUPAC name is 2-chlorobenzenesulfonate;rubidium(1+).

Molecular Properties

Compound Name2-chlorobenzenesulfonate;rubidium(1+)
PubChem CID139842295
Molecular FormulaC6H4ClO3RbS
Molecular Weight277.08 g/mol
Exact Mass275.87
IUPAC Name2-chlorobenzenesulfonate;rubidium(1+)
SMILESO=S(=O)([O-])c1ccccc1Cl.[Rb+]
InChIInChI=1S/C6H5ClO3S.Rb/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1
InChIKeyGIFXNDQNZWYCNA-UHFFFAOYSA-M
XLogP-1.75
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 5-1.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

calcium bis(2,3-dichlorobenzenesulfonate)
CID 141357351
2-methylbenzenesulfonate;tris(2-chlorophenyl)sulfanium
CID 23112877
sodium 8-chloronaphthalene-1-sulfonate
CID 23667431
chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane
CID 59505270
sodium 4-chloronaphthalene-1-sulfonate
CID 23667684
potassium;2-chlorobenzenesulfonic acid;hydride
CID 173108093
lithium 2-aminobenzenesulfonate
CID 59248314
silver 2-iodobenzenesulfonate
CID 139842284
sodium 2,6-dichlorobenzenesulfonate
CID 21354545
2-bromobenzenesulfonate
CID 23001018
lithium 2-dichlorophosphanylbenzenesulfonate
CID 167508079
lithium;2-fluorobenzenesulfonate;trifluoroborane
CID 160988464

Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzenesulfonate;rubidium(1+)?
The IUPAC name of 2-chlorobenzenesulfonate;rubidium(1+) (CID 139842295) is 2-chlorobenzenesulfonate;rubidium(1+).
What is the SMILES notation for 2-chlorobenzenesulfonate;rubidium(1+)?
The canonical SMILES for 2-chlorobenzenesulfonate;rubidium(1+) is O=S(=O)([O-])c1ccccc1Cl.[Rb+].
What is the InChIKey of 2-chlorobenzenesulfonate;rubidium(1+)?
The InChIKey is GIFXNDQNZWYCNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5ClO3S.Rb/c7-5-3-1-2-4-6(5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1.
What are the key properties of 2-chlorobenzenesulfonate;rubidium(1+)?
2-chlorobenzenesulfonate;rubidium(1+) has a molecular weight of 277.08 g/mol, XLogP of -1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzenesulfonate;rubidium(1+) is sourced from PubChem (CID 139842295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).